tert-butyl (2S,3R)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-5-methyl-2-(phenylsulfonylamino)hexanoate

Systemtic Name: tert-butyl (2S,3R)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-5-methyl-2-(phenylsulfonylamino)hexanoate Openeye Name: tert-butyl (2S,3R)-2-(benzenesulfonamido)-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-hexanoate CAS Name: (2S,3R)-2-(benzenesulfonamido)-3-[[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-(benzenesulfonamido)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-5-methylhexanoate Traditional Name: (2S,3R)-2-(benzenesulfonamido)-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-hexanoic acid tert-butyl ester Formula: C25H41N3O6S MolecularWeight: 511.67454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=CC=C1)C(=O)NC(C(=O)NC)C(C)(C)C

Isomeric SMILES

CC(C)C[C@H]([C@@H](C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=CC=C1)C(=O)N[C@H](C(=O)NC)C(C)(C)C

InChI

InChI=1S/C25H41N3O6S/c1-16(2)15-18(21(29)27-20(22(30)26-9)24(3,4)5)19(23(31)34-25(6,7)8)28-35(32,33)17-13-11-10-12-14-17/h10-14,16,18-20,28H,15H2,1-9H3,(H,26,30)(H,27,29)/t18-,19+,20-/m1/s1